SCHEMBL18640955

SCHEMBL18640955

CC(C)(C)[S+]([O-])NC(CC(=O)O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.39
KCNA5 P22460 2/20 0.38
CTSA P10619 5/20 0.37
TACR3 P29371 1/20 0.36
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31362647 0.84 SMN1; SMN2 (0.44) CYP1A2ALDH1A1CYP2C19KCNA5MEN1
SCHEMBL18640937 0.84 SMN1; SMN2 (0.44) CYP1A2ALDH1A1CYP2C19KCNA5MEN1
SCHEMBL23088721 0.81 CTSA (0.36) ALDH1A1CTSAMAPT
SCHEMBL20546157 0.81 CTSA (0.46) CTSA
SCHEMBL4023097 0.80 APLNR (0.35) ALDH1A1CTSA
SCHEMBL29059986 0.78 TSHR (0.34) CYP1A2ALDH1A1CYP2C19KCNA5SMN1; SMN2
SCHEMBL29178318 0.78 HPGD (0.37) ALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL29178321 0.78 HPGD (0.37) ALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL24814271 0.78 HPGD (0.37) ALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL28238011 0.77 EEF2K (0.40) ALDH1A1KCNA5CTSAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A CYP1A2 1507/4885ALDH1A1 3289/4885CYP2C19 3558/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.